[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol

C12H23NO3 — CID 104585572

IUPAC[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol
SMILESCC1(CN2CCOC(CO)C2)CCOCC1
InChIInChI=1S/C12H23NO3/c1-12(2-5-15-6-3-12)10-13-4-7-16-11(8-13)9-14/h11,14H,2-10H2,1H3
InChIKeyHVPSXDVFDQJWMQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.50
Rot. Bonds3

About [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol

[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol (PubChem CID 104585572) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol
PubChem CID104585572
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol
SMILESCC1(CN2CCOC(CO)C2)CCOCC1
InChIInChI=1S/C12H23NO3/c1-12(2-5-15-6-3-12)10-13-4-7-16-11(8-13)9-14/h11,14H,2-10H2,1H3
InChIKeyHVPSXDVFDQJWMQ-UHFFFAOYSA-N
XLogP0.50
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-(hydroxymethyl)oxan-4-yl]methyl]morpholin-2-yl]methanol
CID 81214239
[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol
CID 104585504
[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
CID 55067295
[4-[[1-(hydroxymethyl)cyclopentyl]methyl]morpholin-2-yl]methanol
CID 81212944
[4-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]morpholin-2-yl]methanol
CID 81214333
1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde
CID 81212922
[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol
CID 81213477
4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde
CID 55066133
trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
CID 79016153
(4-prop-2-ynylmorpholin-2-yl)methanol
CID 79833462
3-[(2-ethylmorpholin-4-yl)methyl]oxolan-3-amine
CID 64893246
[(2S)-4-(oxolan-3-ylmethyl)morpholin-2-yl]methanol
CID 130137885

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol (CID 104585572) is [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol is CC1(CN2CCOC(CO)C2)CCOCC1.
What is the InChIKey of [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is HVPSXDVFDQJWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2-5-15-6-3-12)10-13-4-7-16-11(8-13)9-14/h11,14H,2-10H2,1H3.
What are the key properties of [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol?
[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 229.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 104585572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).